Merge pull request #171 from speleo3/versioneer-0.29

Update versioneer to version 0.29

.github/workflows/python-package.yml

@@ -18,7 +18,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
 
     steps:
     - uses: actions/checkout@v2

propka/__init__.py

@@ -19,6 +19,5 @@ __all__ = ["atom", "bonds", "calculations", "conformation_container",
            "ligand", "molecular_container", "output", "parameters",
            "protonate", "run", "vector_algebra", "version"]
 
-from ._version import get_versions
+from . import _version
-__version__ = get_versions()['version']
+__version__ = _version.get_versions()['version']
-del get_versions

propka/_version.py

@@ -5,8 +5,9 @@
 # directories (produced by setup.py build) will contain a much shorter file
 # that just contains the computed version number.
 
-# This file is released into the public domain. Generated by
+# This file is released into the public domain.
-# versioneer-0.18 (https://github.com/warner/python-versioneer)
+# Generated by versioneer-0.29
+# https://github.com/python-versioneer/python-versioneer
 
 """Git implementation of _version.py."""
 
@@ -15,9 +16,11 @@ import os
 import re
 import subprocess
 import sys
+from typing import Any, Callable, Dict, List, Optional, Tuple
+import functools
 
 
-def get_keywords():
+def get_keywords() -> Dict[str, str]:
     """Get the keywords needed to look up the version information."""
     # these strings will be replaced by git during git-archive.
     # setup.py/versioneer.py will grep for the variable names, so they must
@@ -33,8 +36,15 @@ def get_keywords():
 class VersioneerConfig:
     """Container for Versioneer configuration parameters."""
 
+    VCS: str
+    style: str
+    tag_prefix: str
+    parentdir_prefix: str
+    versionfile_source: str
+    verbose: bool
 
-def get_config():
+
+def get_config() -> VersioneerConfig:
     """Create, populate and return the VersioneerConfig() object."""
     # these strings are filled in when 'setup.py versioneer' creates
     # _version.py
@@ -52,13 +62,13 @@ class NotThisMethod(Exception):
     """Exception raised if a method is not valid for the current scenario."""
 
 
-LONG_VERSION_PY = {}
+LONG_VERSION_PY: Dict[str, str] = {}
-HANDLERS = {}
+HANDLERS: Dict[str, Dict[str, Callable]] = {}
 
 
-def register_vcs_handler(vcs, method):  # decorator
+def register_vcs_handler(vcs: str, method: str) -> Callable:  # decorator
-    """Decorator to mark a method as the handler for a particular VCS."""
+    """Create decorator to mark a method as the handler of a VCS."""
-    def decorate(f):
+    def decorate(f: Callable) -> Callable:
         """Store f in HANDLERS[vcs][method]."""
         if vcs not in HANDLERS:
             HANDLERS[vcs] = {}
@@ -67,22 +77,35 @@ def register_vcs_handler(vcs, method):  # decorator
     return decorate
 
 
-def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False,
+def run_command(
-                env=None):
+    commands: List[str],
+    args: List[str],
+    cwd: Optional[str] = None,
+    verbose: bool = False,
+    hide_stderr: bool = False,
+    env: Optional[Dict[str, str]] = None,
+) -> Tuple[Optional[str], Optional[int]]:
     """Call the given command(s)."""
     assert isinstance(commands, list)
-    p = None
+    process = None
-    for c in commands:
+
+    popen_kwargs: Dict[str, Any] = {}
+    if sys.platform == "win32":
+        # This hides the console window if pythonw.exe is used
+        startupinfo = subprocess.STARTUPINFO()
+        startupinfo.dwFlags |= subprocess.STARTF_USESHOWWINDOW
+        popen_kwargs["startupinfo"] = startupinfo
+
+    for command in commands:
         try:
-            dispcmd = str([c] + args)
+            dispcmd = str([command] + args)
             # remember shell=False, so use git.cmd on windows, not just git
-            p = subprocess.Popen([c] + args, cwd=cwd, env=env,
+            process = subprocess.Popen([command] + args, cwd=cwd, env=env,
-                                 stdout=subprocess.PIPE,
+                                       stdout=subprocess.PIPE,
-                                 stderr=(subprocess.PIPE if hide_stderr
+                                       stderr=(subprocess.PIPE if hide_stderr
-                                         else None))
+                                               else None), **popen_kwargs)
             break
-        except EnvironmentError:
+        except OSError as e:
-            e = sys.exc_info()[1]
             if e.errno == errno.ENOENT:
                 continue
             if verbose:
@@ -93,18 +116,20 @@ def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False,
         if verbose:
             print("unable to find command, tried %s" % (commands,))
         return None, None
-    stdout = p.communicate()[0].strip()
+    stdout = process.communicate()[0].strip().decode()
-    if sys.version_info[0] >= 3:
+    if process.returncode != 0:
-        stdout = stdout.decode()
-    if p.returncode != 0:
         if verbose:
             print("unable to run %s (error)" % dispcmd)
             print("stdout was %s" % stdout)
-        return None, p.returncode
+        return None, process.returncode
-    return stdout, p.returncode
+    return stdout, process.returncode
 
 
-def versions_from_parentdir(parentdir_prefix, root, verbose):
+def versions_from_parentdir(
+    parentdir_prefix: str,
+    root: str,
+    verbose: bool,
+) -> Dict[str, Any]:
     """Try to determine the version from the parent directory name.
 
     Source tarballs conventionally unpack into a directory that includes both
@@ -113,15 +138,14 @@ def versions_from_parentdir(parentdir_prefix, root, verbose):
     """
     rootdirs = []
 
-    for i in range(3):
+    for _ in range(3):
         dirname = os.path.basename(root)
         if dirname.startswith(parentdir_prefix):
             return {"version": dirname[len(parentdir_prefix):],
                     "full-revisionid": None,
                     "dirty": False, "error": None, "date": None}
-        else:
+        rootdirs.append(root)
-            rootdirs.append(root)
+        root = os.path.dirname(root)  # up a level
-            root = os.path.dirname(root)  # up a level
 
     if verbose:
         print("Tried directories %s but none started with prefix %s" %
@@ -130,41 +154,48 @@ def versions_from_parentdir(parentdir_prefix, root, verbose):
 
 
 @register_vcs_handler("git", "get_keywords")
-def git_get_keywords(versionfile_abs):
+def git_get_keywords(versionfile_abs: str) -> Dict[str, str]:
     """Extract version information from the given file."""
     # the code embedded in _version.py can just fetch the value of these
     # keywords. When used from setup.py, we don't want to import _version.py,
     # so we do it with a regexp instead. This function is not used from
     # _version.py.
-    keywords = {}
+    keywords: Dict[str, str] = {}
     try:
-        f = open(versionfile_abs, "r")
+        with open(versionfile_abs, "r") as fobj:
-        for line in f.readlines():
+            for line in fobj:
-            if line.strip().startswith("git_refnames ="):
+                if line.strip().startswith("git_refnames ="):
-                mo = re.search(r'=\s*"(.*)"', line)
+                    mo = re.search(r'=\s*"(.*)"', line)
-                if mo:
+                    if mo:
-                    keywords["refnames"] = mo.group(1)
+                        keywords["refnames"] = mo.group(1)
-            if line.strip().startswith("git_full ="):
+                if line.strip().startswith("git_full ="):
-                mo = re.search(r'=\s*"(.*)"', line)
+                    mo = re.search(r'=\s*"(.*)"', line)
-                if mo:
+                    if mo:
-                    keywords["full"] = mo.group(1)
+                        keywords["full"] = mo.group(1)
-            if line.strip().startswith("git_date ="):
+                if line.strip().startswith("git_date ="):
-                mo = re.search(r'=\s*"(.*)"', line)
+                    mo = re.search(r'=\s*"(.*)"', line)
-                if mo:
+                    if mo:
-                    keywords["date"] = mo.group(1)
+                        keywords["date"] = mo.group(1)
-        f.close()
+    except OSError:
-    except EnvironmentError:
         pass
     return keywords
 
 
 @register_vcs_handler("git", "keywords")
-def git_versions_from_keywords(keywords, tag_prefix, verbose):
+def git_versions_from_keywords(
+    keywords: Dict[str, str],
+    tag_prefix: str,
+    verbose: bool,
+) -> Dict[str, Any]:
     """Get version information from git keywords."""
-    if not keywords:
+    if "refnames" not in keywords:
-        raise NotThisMethod("no keywords at all, weird")
+        raise NotThisMethod("Short version file found")
     date = keywords.get("date")
     if date is not None:
+        # Use only the last line.  Previous lines may contain GPG signature
+        # information.
+        date = date.splitlines()[-1]
+
         # git-2.2.0 added "%cI", which expands to an ISO-8601 -compliant
         # datestamp. However we prefer "%ci" (which expands to an "ISO-8601
         # -like" string, which we must then edit to make compliant), because
@@ -177,11 +208,11 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
         if verbose:
             print("keywords are unexpanded, not using")
         raise NotThisMethod("unexpanded keywords, not a git-archive tarball")
-    refs = set([r.strip() for r in refnames.strip("()").split(",")])
+    refs = {r.strip() for r in refnames.strip("()").split(",")}
     # starting in git-1.8.3, tags are listed as "tag: foo-1.0" instead of
     # just "foo-1.0". If we see a "tag: " prefix, prefer those.
     TAG = "tag: "
-    tags = set([r[len(TAG):] for r in refs if r.startswith(TAG)])
+    tags = {r[len(TAG):] for r in refs if r.startswith(TAG)}
     if not tags:
         # Either we're using git < 1.8.3, or there really are no tags. We use
         # a heuristic: assume all version tags have a digit. The old git %d
@@ -190,7 +221,7 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
         # between branches and tags. By ignoring refnames without digits, we
         # filter out many common branch names like "release" and
         # "stabilization", as well as "HEAD" and "master".
-        tags = set([r for r in refs if re.search(r'\d', r)])
+        tags = {r for r in refs if re.search(r'\d', r)}
         if verbose:
             print("discarding '%s', no digits" % ",".join(refs - tags))
     if verbose:
@@ -199,6 +230,11 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
         # sorting will prefer e.g. "2.0" over "2.0rc1"
         if ref.startswith(tag_prefix):
             r = ref[len(tag_prefix):]
+            # Filter out refs that exactly match prefix or that don't start
+            # with a number once the prefix is stripped (mostly a concern
+            # when prefix is '')
+            if not re.match(r'\d', r):
+                continue
             if verbose:
                 print("picking %s" % r)
             return {"version": r,
@@ -214,7 +250,12 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
 
 
 @register_vcs_handler("git", "pieces_from_vcs")
-def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
+def git_pieces_from_vcs(
+    tag_prefix: str,
+    root: str,
+    verbose: bool,
+    runner: Callable = run_command
+) -> Dict[str, Any]:
     """Get version from 'git describe' in the root of the source tree.
 
     This only gets called if the git-archive 'subst' keywords were *not*
@@ -225,8 +266,15 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
     if sys.platform == "win32":
         GITS = ["git.cmd", "git.exe"]
 
-    out, rc = run_command(GITS, ["rev-parse", "--git-dir"], cwd=root,
+    # GIT_DIR can interfere with correct operation of Versioneer.
-                          hide_stderr=True)
+    # It may be intended to be passed to the Versioneer-versioned project,
+    # but that should not change where we get our version from.
+    env = os.environ.copy()
+    env.pop("GIT_DIR", None)
+    runner = functools.partial(runner, env=env)
+
+    _, rc = runner(GITS, ["rev-parse", "--git-dir"], cwd=root,
+                   hide_stderr=not verbose)
     if rc != 0:
         if verbose:
             print("Directory %s not under git control" % root)
@@ -234,24 +282,57 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
 
     # if there is a tag matching tag_prefix, this yields TAG-NUM-gHEX[-dirty]
     # if there isn't one, this yields HEX[-dirty] (no NUM)
-    describe_out, rc = run_command(GITS, ["describe", "--tags", "--dirty",
+    describe_out, rc = runner(GITS, [
-                                          "--always", "--long",
+        "describe", "--tags", "--dirty", "--always", "--long",
-                                          "--match", "%s*" % tag_prefix],
+        "--match", f"{tag_prefix}[[:digit:]]*"
-                                   cwd=root)
+    ], cwd=root)
     # --long was added in git-1.5.5
     if describe_out is None:
         raise NotThisMethod("'git describe' failed")
     describe_out = describe_out.strip()
-    full_out, rc = run_command(GITS, ["rev-parse", "HEAD"], cwd=root)
+    full_out, rc = runner(GITS, ["rev-parse", "HEAD"], cwd=root)
     if full_out is None:
         raise NotThisMethod("'git rev-parse' failed")
     full_out = full_out.strip()
 
-    pieces = {}
+    pieces: Dict[str, Any] = {}
     pieces["long"] = full_out
     pieces["short"] = full_out[:7]  # maybe improved later
     pieces["error"] = None
 
+    branch_name, rc = runner(GITS, ["rev-parse", "--abbrev-ref", "HEAD"],
+                             cwd=root)
+    # --abbrev-ref was added in git-1.6.3
+    if rc != 0 or branch_name is None:
+        raise NotThisMethod("'git rev-parse --abbrev-ref' returned error")
+    branch_name = branch_name.strip()
+
+    if branch_name == "HEAD":
+        # If we aren't exactly on a branch, pick a branch which represents
+        # the current commit. If all else fails, we are on a branchless
+        # commit.
+        branches, rc = runner(GITS, ["branch", "--contains"], cwd=root)
+        # --contains was added in git-1.5.4
+        if rc != 0 or branches is None:
+            raise NotThisMethod("'git branch --contains' returned error")
+        branches = branches.split("\n")
+
+        # Remove the first line if we're running detached
+        if "(" in branches[0]:
+            branches.pop(0)
+
+        # Strip off the leading "* " from the list of branches.
+        branches = [branch[2:] for branch in branches]
+        if "master" in branches:
+            branch_name = "master"
+        elif not branches:
+            branch_name = None
+        else:
+            # Pick the first branch that is returned. Good or bad.
+            branch_name = branches[0]
+
+    pieces["branch"] = branch_name
+
     # parse describe_out. It will be like TAG-NUM-gHEX[-dirty] or HEX[-dirty]
     # TAG might have hyphens.
     git_describe = describe_out
@@ -268,7 +349,7 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
         # TAG-NUM-gHEX
         mo = re.search(r'^(.+)-(\d+)-g([0-9a-f]+)$', git_describe)
         if not mo:
-            # unparseable. Maybe git-describe is misbehaving?
+            # unparsable. Maybe git-describe is misbehaving?
             pieces["error"] = ("unable to parse git-describe output: '%s'"
                                % describe_out)
             return pieces
@@ -293,26 +374,27 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
     else:
         # HEX: no tags
         pieces["closest-tag"] = None
-        count_out, rc = run_command(GITS, ["rev-list", "HEAD", "--count"],
+        out, rc = runner(GITS, ["rev-list", "HEAD", "--left-right"], cwd=root)
-                                    cwd=root)
+        pieces["distance"] = len(out.split())  # total number of commits
-        pieces["distance"] = int(count_out)  # total number of commits
 
     # commit date: see ISO-8601 comment in git_versions_from_keywords()
-    date = run_command(GITS, ["show", "-s", "--format=%ci", "HEAD"],
+    date = runner(GITS, ["show", "-s", "--format=%ci", "HEAD"], cwd=root)[0].strip()
-                       cwd=root)[0].strip()
+    # Use only the last line.  Previous lines may contain GPG signature
+    # information.
+    date = date.splitlines()[-1]
     pieces["date"] = date.strip().replace(" ", "T", 1).replace(" ", "", 1)
 
     return pieces
 
 
-def plus_or_dot(pieces):
+def plus_or_dot(pieces: Dict[str, Any]) -> str:
     """Return a + if we don't already have one, else return a ."""
     if "+" in pieces.get("closest-tag", ""):
         return "."
     return "+"
 
 
-def render_pep440(pieces):
+def render_pep440(pieces: Dict[str, Any]) -> str:
     """Build up version string, with post-release "local version identifier".
 
     Our goal: TAG[+DISTANCE.gHEX[.dirty]] . Note that if you
@@ -337,23 +419,71 @@ def render_pep440(pieces):
     return rendered
 
 
-def render_pep440_pre(pieces):
+def render_pep440_branch(pieces: Dict[str, Any]) -> str:
-    """TAG[.post.devDISTANCE] -- No -dirty.
+    """TAG[[.dev0]+DISTANCE.gHEX[.dirty]] .
+
+    The ".dev0" means not master branch. Note that .dev0 sorts backwards
+    (a feature branch will appear "older" than the master branch).
 
     Exceptions:
-    1: no tags. 0.post.devDISTANCE
+    1: no tags. 0[.dev0]+untagged.DISTANCE.gHEX[.dirty]
     """
     if pieces["closest-tag"]:
         rendered = pieces["closest-tag"]
-        if pieces["distance"]:
+        if pieces["distance"] or pieces["dirty"]:
-            rendered += ".post.dev%d" % pieces["distance"]
+            if pieces["branch"] != "master":
+                rendered += ".dev0"
+            rendered += plus_or_dot(pieces)
+            rendered += "%d.g%s" % (pieces["distance"], pieces["short"])
+            if pieces["dirty"]:
+                rendered += ".dirty"
     else:
         # exception #1
-        rendered = "0.post.dev%d" % pieces["distance"]
+        rendered = "0"
+        if pieces["branch"] != "master":
+            rendered += ".dev0"
+        rendered += "+untagged.%d.g%s" % (pieces["distance"],
+                                          pieces["short"])
+        if pieces["dirty"]:
+            rendered += ".dirty"
     return rendered
 
 
-def render_pep440_post(pieces):
+def pep440_split_post(ver: str) -> Tuple[str, Optional[int]]:
+    """Split pep440 version string at the post-release segment.
+
+    Returns the release segments before the post-release and the
+    post-release version number (or -1 if no post-release segment is present).
+    """
+    vc = str.split(ver, ".post")
+    return vc[0], int(vc[1] or 0) if len(vc) == 2 else None
+
+
+def render_pep440_pre(pieces: Dict[str, Any]) -> str:
+    """TAG[.postN.devDISTANCE] -- No -dirty.
+
+    Exceptions:
+    1: no tags. 0.post0.devDISTANCE
+    """
+    if pieces["closest-tag"]:
+        if pieces["distance"]:
+            # update the post release segment
+            tag_version, post_version = pep440_split_post(pieces["closest-tag"])
+            rendered = tag_version
+            if post_version is not None:
+                rendered += ".post%d.dev%d" % (post_version + 1, pieces["distance"])
+            else:
+                rendered += ".post0.dev%d" % (pieces["distance"])
+        else:
+            # no commits, use the tag as the version
+            rendered = pieces["closest-tag"]
+    else:
+        # exception #1
+        rendered = "0.post0.dev%d" % pieces["distance"]
+    return rendered
+
+
+def render_pep440_post(pieces: Dict[str, Any]) -> str:
     """TAG[.postDISTANCE[.dev0]+gHEX] .
 
     The ".dev0" means dirty. Note that .dev0 sorts backwards
@@ -380,12 +510,41 @@ def render_pep440_post(pieces):
     return rendered
 
 
-def render_pep440_old(pieces):
+def render_pep440_post_branch(pieces: Dict[str, Any]) -> str:
+    """TAG[.postDISTANCE[.dev0]+gHEX[.dirty]] .
+
+    The ".dev0" means not master branch.
+
+    Exceptions:
+    1: no tags. 0.postDISTANCE[.dev0]+gHEX[.dirty]
+    """
+    if pieces["closest-tag"]:
+        rendered = pieces["closest-tag"]
+        if pieces["distance"] or pieces["dirty"]:
+            rendered += ".post%d" % pieces["distance"]
+            if pieces["branch"] != "master":
+                rendered += ".dev0"
+            rendered += plus_or_dot(pieces)
+            rendered += "g%s" % pieces["short"]
+            if pieces["dirty"]:
+                rendered += ".dirty"
+    else:
+        # exception #1
+        rendered = "0.post%d" % pieces["distance"]
+        if pieces["branch"] != "master":
+            rendered += ".dev0"
+        rendered += "+g%s" % pieces["short"]
+        if pieces["dirty"]:
+            rendered += ".dirty"
+    return rendered
+
+
+def render_pep440_old(pieces: Dict[str, Any]) -> str:
     """TAG[.postDISTANCE[.dev0]] .
 
     The ".dev0" means dirty.
 
-    Eexceptions:
+    Exceptions:
     1: no tags. 0.postDISTANCE[.dev0]
     """
     if pieces["closest-tag"]:
@@ -402,7 +561,7 @@ def render_pep440_old(pieces):
     return rendered
 
 
-def render_git_describe(pieces):
+def render_git_describe(pieces: Dict[str, Any]) -> str:
     """TAG[-DISTANCE-gHEX][-dirty].
 
     Like 'git describe --tags --dirty --always'.
@@ -422,7 +581,7 @@ def render_git_describe(pieces):
     return rendered
 
 
-def render_git_describe_long(pieces):
+def render_git_describe_long(pieces: Dict[str, Any]) -> str:
     """TAG-DISTANCE-gHEX[-dirty].
 
     Like 'git describe --tags --dirty --always -long'.
@@ -442,7 +601,7 @@ def render_git_describe_long(pieces):
     return rendered
 
 
-def render(pieces, style):
+def render(pieces: Dict[str, Any], style: str) -> Dict[str, Any]:
     """Render the given version pieces into the requested style."""
     if pieces["error"]:
         return {"version": "unknown",
@@ -456,10 +615,14 @@ def render(pieces, style):
 
     if style == "pep440":
         rendered = render_pep440(pieces)
+    elif style == "pep440-branch":
+        rendered = render_pep440_branch(pieces)
     elif style == "pep440-pre":
         rendered = render_pep440_pre(pieces)
     elif style == "pep440-post":
         rendered = render_pep440_post(pieces)
+    elif style == "pep440-post-branch":
+        rendered = render_pep440_post_branch(pieces)
     elif style == "pep440-old":
         rendered = render_pep440_old(pieces)
     elif style == "git-describe":
@@ -474,7 +637,7 @@ def render(pieces, style):
             "date": pieces.get("date")}
 
 
-def get_versions():
+def get_versions() -> Dict[str, Any]:
     """Get version information or return default if unable to do so."""
     # I am in _version.py, which lives at ROOT/VERSIONFILE_SOURCE. If we have
     # __file__, we can work backwards from there to the root. Some
@@ -495,7 +658,7 @@ def get_versions():
         # versionfile_source is the relative path from the top of the source
         # tree (where the .git directory might live) to this file. Invert
         # this to find the root from __file__.
-        for i in cfg.versionfile_source.split('/'):
+        for _ in cfg.versionfile_source.split('/'):
             root = os.path.dirname(root)
     except NameError:
         return {"version": "0+unknown", "full-revisionid": None,

setup.py

@@ -50,6 +50,7 @@ See http://propka.org/ for the PROPKA web server.
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
         'Topic :: Scientific/Engineering :: Bio-Informatics',
         'Topic :: Scientific/Engineering :: Chemistry',
         ],